2-[[2-chloro-4-(3-ethoxyphenyl)phenyl]methyl]pyridine-3-carboxylic acid

C21H18ClNO3 — CID 162176572

IUPAC2-[[2-chloro-4-(3-ethoxyphenyl)phenyl]methyl]pyridine-3-carboxylic acid
SMILESCCOc1cccc(-c2ccc(Cc3ncccc3C(=O)O)c(Cl)c2)c1
InChIInChI=1S/C21H18ClNO3/c1-2-26-17-6-3-5-14(11-17)15-8-9-16(19(22)12-15)13-20-18(21(24)25)7-4-10-23-20/h3-12H,2,13H2,1H3,(H,24,25)
InChIKeyZOLXKIONLCFUJK-UHFFFAOYSA-N
MW367.83 g/mol
LogP5.09
Rot. Bonds6

About 2-[[2-chloro-4-(3-ethoxyphenyl)phenyl]methyl]pyridine-3-carboxylic acid

2-[[2-chloro-4-(3-ethoxyphenyl)phenyl]methyl]pyridine-3-carboxylic acid (PubChem CID 162176572) has the molecular formula C21H18ClNO3 and a molecular weight of 367.83 g/mol. Its IUPAC name is 2-[[2-chloro-4-(3-ethoxyphenyl)phenyl]methyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[[2-chloro-4-(3-ethoxyphenyl)phenyl]methyl]pyridine-3-carboxylic acid
PubChem CID162176572
Molecular FormulaC21H18ClNO3
Molecular Weight367.83 g/mol
Exact Mass367.10
IUPAC Name2-[[2-chloro-4-(3-ethoxyphenyl)phenyl]methyl]pyridine-3-carboxylic acid
SMILESCCOc1cccc(-c2ccc(Cc3ncccc3C(=O)O)c(Cl)c2)c1
InChIInChI=1S/C21H18ClNO3/c1-2-26-17-6-3-5-14(11-17)15-8-9-16(19(22)12-15)13-20-18(21(24)25)7-4-10-23-20/h3-12H,2,13H2,1H3,(H,24,25)
InChIKeyZOLXKIONLCFUJK-UHFFFAOYSA-N
XLogP5.09
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.83
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-fluoro-4-(3-methoxyphenyl)phenyl]methyl]pyridine-3-carboxylic acid
CID 58075174
4-(3-ethoxyphenyl)-2-nitrobenzoic acid
CID 53226326
2-[4-(3-ethoxyphenyl)-2,6-difluoroanilino]pyridine-3-carboxylic acid
CID 24986825
2-[4-(3-ethoxyphenyl)-2-(trifluoromethoxy)anilino]pyridine-3-carboxylic acid
CID 158575024
3-(3-ethoxyphenyl)-2-methylbenzoic acid
CID 53226301
3-(3-ethoxyphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid
CID 82445938
2-[2-chloro-4-(3-phenylmethoxyphenyl)phenyl]acetic acid
CID 176516199
2-[(2,4-diethoxyphenyl)methylsulfanyl]pyridine-3-carboxylic acid
CID 10688093
6-(3-ethoxyphenyl)-1-(2,2,2-trifluoroethyl)indole-3-carboxylic acid
CID 172674772
2-(2-chloro-4-ethoxyphenyl)benzoic acid
CID 53218434
2-[[2-chloro-4-(3-ethoxyphenyl)-6-fluorophenyl]carbamoyl]benzoic acid;4,5-dichloro-2-[[2-chloro-4-(3-ethoxyphenyl)-6-fluorophenyl]carbamoyl]benzoic acid
CID 158060070
2-[4-(3-ethoxyphenyl)phenyl]-6-(trifluoromethyl)quinoline-4-carboxylic acid
CID 153380369

Frequently Asked Questions

What is the IUPAC name of 2-[[2-chloro-4-(3-ethoxyphenyl)phenyl]methyl]pyridine-3-carboxylic acid?
The IUPAC name of 2-[[2-chloro-4-(3-ethoxyphenyl)phenyl]methyl]pyridine-3-carboxylic acid (CID 162176572) is 2-[[2-chloro-4-(3-ethoxyphenyl)phenyl]methyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[[2-chloro-4-(3-ethoxyphenyl)phenyl]methyl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[[2-chloro-4-(3-ethoxyphenyl)phenyl]methyl]pyridine-3-carboxylic acid is CCOc1cccc(-c2ccc(Cc3ncccc3C(=O)O)c(Cl)c2)c1.
What is the InChIKey of 2-[[2-chloro-4-(3-ethoxyphenyl)phenyl]methyl]pyridine-3-carboxylic acid?
The InChIKey is ZOLXKIONLCFUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClNO3/c1-2-26-17-6-3-5-14(11-17)15-8-9-16(19(22)12-15)13-20-18(21(24)25)7-4-10-23-20/h3-12H,2,13H2,1H3,(H,24,25).
What are the key properties of 2-[[2-chloro-4-(3-ethoxyphenyl)phenyl]methyl]pyridine-3-carboxylic acid?
2-[[2-chloro-4-(3-ethoxyphenyl)phenyl]methyl]pyridine-3-carboxylic acid has a molecular weight of 367.83 g/mol, XLogP of 5.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-chloro-4-(3-ethoxyphenyl)phenyl]methyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 162176572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).